2-(3,4-dimethoxyphenyl)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide

C19H22N4O3 — CID 71853828

IUPAC2-(3,4-dimethoxyphenyl)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc(C(C)(C)C(=O)NCc2nnc3ccccn23)cc1OC
InChIInChI=1S/C19H22N4O3/c1-19(2,13-8-9-14(25-3)15(11-13)26-4)18(24)20-12-17-22-21-16-7-5-6-10-23(16)17/h5-11H,12H2,1-4H3,(H,20,24)
InChIKeyQLAXROPLACJHQY-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.34
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide

2-(3,4-dimethoxyphenyl)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide (PubChem CID 71853828) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
PubChem CID71853828
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-(3,4-dimethoxyphenyl)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc(C(C)(C)C(=O)NCc2nnc3ccccn23)cc1OC
InChIInChI=1S/C19H22N4O3/c1-19(2,13-8-9-14(25-3)15(11-13)26-4)18(24)20-12-17-22-21-16-7-5-6-10-23(16)17/h5-11H,12H2,1-4H3,(H,20,24)
InChIKeyQLAXROPLACJHQY-UHFFFAOYSA-N
XLogP2.34
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dimethoxyphenyl)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethoxy-4-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 39761297
3-methoxy-4-prop-2-enoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 27848760
2-(aminomethyl)-2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 115432363
3-[[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701535
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021118
2-amino-2-cyclopropyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 61273646
(2R)-2-(4-tert-butylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 40987219
3-chloro-4,5-dimethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9021133
2-(3,4-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpropanamide
CID 71920570
4-tert-butyl-N-[2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]benzamide
CID 17465781
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3-[(2,4,6-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111016170

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide (CID 71853828) is 2-(3,4-dimethoxyphenyl)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide is COc1ccc(C(C)(C)C(=O)NCc2nnc3ccccn23)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
The InChIKey is QLAXROPLACJHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-19(2,13-8-9-14(25-3)15(11-13)26-4)18(24)20-12-17-22-21-16-7-5-6-10-23(16)17/h5-11H,12H2,1-4H3,(H,20,24).
What are the key properties of 2-(3,4-dimethoxyphenyl)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
2-(3,4-dimethoxyphenyl)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide has a molecular weight of 354.41 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 71853828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).